N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C20H21N3O3 — CID 135927606

IUPACN-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOc1cccc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-26-15-7-4-6-14(12-15)13-21-19(24)11-5-10-18-22-17-9-3-2-8-16(17)20(25)23-18/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyKAZDOFCOMXKNCS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.57
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135927606) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135927606
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCOc1cccc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-26-15-7-4-6-14(12-15)13-21-19(24)11-5-10-18-22-17-9-3-2-8-16(17)20(25)23-18/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyKAZDOFCOMXKNCS-UHFFFAOYSA-N
XLogP2.57
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570299
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782984
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137282586
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135927606) is N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is COc1cccc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is KAZDOFCOMXKNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-15-7-4-6-14(12-15)13-21-19(24)11-5-10-18-22-17-9-3-2-8-16(17)20(25)23-18/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 351.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135927606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).